2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide

C23H19N3O5S — CID 126737915

IUPAC2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1cc2nccc(Oc3cccc(CC(=O)Nc4nc(C=O)cs4)c3)c2cc1OC
InChIInChI=1S/C23H19N3O5S/c1-29-20-10-17-18(11-21(20)30-2)24-7-6-19(17)31-16-5-3-4-14(8-16)9-22(28)26-23-25-15(12-27)13-32-23/h3-8,10-13H,9H2,1-2H3,(H,25,26,28)
InChIKeyQIXUTUKARSSTRR-UHFFFAOYSA-N
MW449.49 g/mol
LogP4.49
Rot. Bonds8

About 2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide

2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide (PubChem CID 126737915) has the molecular formula C23H19N3O5S and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide
PubChem CID126737915
Molecular FormulaC23H19N3O5S
Molecular Weight449.49 g/mol
Exact Mass449.10
IUPAC Name2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1cc2nccc(Oc3cccc(CC(=O)Nc4nc(C=O)cs4)c3)c2cc1OC
InChIInChI=1S/C23H19N3O5S/c1-29-20-10-17-18(11-21(20)30-2)24-7-6-19(17)31-16-5-3-4-14(8-16)9-22(28)26-23-25-15(12-27)13-32-23/h3-8,10-13H,9H2,1-2H3,(H,25,26,28)
InChIKeyQIXUTUKARSSTRR-UHFFFAOYSA-N
XLogP4.49
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-(3-methoxyphenyl)acetamide
CID 59791994
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 11397684
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2550621
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-fluoro-1,3-benzothiazol-2-amine;N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 160764690
2-(3-methoxyphenyl)-N-[4-(2-methoxy-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
CID 24831672
N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide
CID 143025933
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(3-hydroxyphenyl)pentane-2,4-dione
CID 58249480
2-(3-chlorophenyl)-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]acetamide
CID 59791998

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide (CID 126737915) is 2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide is COc1cc2nccc(Oc3cccc(CC(=O)Nc4nc(C=O)cs4)c3)c2cc1OC.
What is the InChIKey of 2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QIXUTUKARSSTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5S/c1-29-20-10-17-18(11-21(20)30-2)24-7-6-19(17)31-16-5-3-4-14(8-16)9-22(28)26-23-25-15(12-27)13-32-23/h3-8,10-13H,9H2,1-2H3,(H,25,26,28).
What are the key properties of 2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide?
2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 449.49 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 126737915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).